Cas no 51125-25-8 (Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]-)
![Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/51500/51125-25-8x500.png)
51125-25-8 structure
Product Name:Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]-
CAS No:51125-25-8
MF:C10H15NO
MW:165.232202768326
CID:363194
PubChem ID:15112382
Update Time:2025-04-19
Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]-
- 1-(1-tert-butylpyrrol-3-yl)ethanone
- DTXSID10568404
- 51125-25-8
- 1-(1-(tert-butyl)-1H-pyrrol-3-yl)ethanone
- SB63737
- 1-(1-tert-Butyl-1H-pyrrol-3-yl)ethan-1-one
- SCHEMBL13539050
-
- Inchi： 1S/C10H15NO/c1-8(12)9-5-6-11(7-9)10(2,3)4/h5-7H,1-4H3
- InChI Key： HXSNUBYUKDVPPI-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CN(C=1)C(C)(C)C
Computed Properties
- Exact Mass: 165.11545
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22
Ethanone, 1-[1-(1,1-dimethylethyl)-1H-pyrrol-3-yl]- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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